1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene

C14H18O2 — CID 135072184

IUPAC1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene
SMILESC#CC(OC(C)(C)OCC)c1ccccc1
InChIInChI=1S/C14H18O2/c1-5-13(12-10-8-7-9-11-12)16-14(3,4)15-6-2/h1,7-11,13H,6H2,2-4H3
InChIKeyBARBOCXRHNUFLW-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.15
Rot. Bonds5

About 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene

1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene (PubChem CID 135072184) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene.

Molecular Properties

Compound Name1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene
PubChem CID135072184
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene
SMILESC#CC(OC(C)(C)OCC)c1ccccc1
InChIInChI=1S/C14H18O2/c1-5-13(12-10-8-7-9-11-12)16-14(3,4)15-6-2/h1,7-11,13H,6H2,2-4H3
InChIKeyBARBOCXRHNUFLW-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol
CID 174922724
[(1R)-1-phenylmethoxyprop-2-ynyl]benzene
CID 177433534
1-phenylprop-2-ynyl methanesulfinate
CID 11805600
[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane
CID 71389166
1-ethenoxyprop-2-ynylbenzene
CID 71418172
2-ethoxy-2-methyl-3,3-diphenylpropanoic acid
CID 115590588
4-[(1S)-1-phenylprop-2-ynoxy]butane-1,3-diol
CID 174922718
(1S)-N-methyl-1-phenylprop-2-yn-1-amine
CID 142199409
ethoxyethane;2-phenylpropanoic acid
CID 174766454
N-(2,2,2-triethoxy-1-phenylethyl)acetamide
CID 10968440
[(1S)-1-[(1R)-1-ethoxyprop-2-ynoxy]pent-4-enyl]benzene
CID 102046362
[(3R)-4-methylhex-5-yn-3-yl]benzene;propane;hydroiodide
CID 143352483

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene?
The IUPAC name of 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene (CID 135072184) is 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene.
What is the SMILES notation for 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene?
The canonical SMILES for 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene is C#CC(OC(C)(C)OCC)c1ccccc1.
What is the InChIKey of 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene?
The InChIKey is BARBOCXRHNUFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-13(12-10-8-7-9-11-12)16-14(3,4)15-6-2/h1,7-11,13H,6H2,2-4H3.
What are the key properties of 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene?
1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene has a molecular weight of 218.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene is sourced from PubChem (CID 135072184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).